N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-3-(4-fluorophenyl)-4-imidazolecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide Formula: C17H21FN5O2+ MolecularWeight: 346.379343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CN=CN2C3=CC=C(C=C3)F)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CN=CN2C3=CC=C(C=C3)F)CC(=O)N

InChI

InChI=1S/C17H20FN5O2/c18-12-1-3-14(4-2-12)23-11-20-9-15(23)17(25)21-13-5-7-22(8-6-13)10-16(19)24/h1-4,9,11,13H,5-8,10H2,(H2,19,24)(H,21,25)/p+1